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Development of Heterogeneous Enantioselective Catalysts using Chiral Metal-Organic Frameworks (MOFs)
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Systematic study of the reaction kinetics for HMX

Yao Long1, Jun Chen1,2

  • 1†Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088, China.

The Journal of Physical Chemistry. A
|April 14, 2015
PubMed
Summary

Molecular dynamics simulations reveal the reaction pathways of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). Key intermediate molecules were identified, aiding in accurate prediction of detonation properties.

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